{[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl}dimethylamine hydrochloride

• ChemBase ID: 185638
• Molecular Formular: C26H28ClNO3
• Molecular Mass: 437.95842
• Monoisotopic Mass: 437.17577144
• SMILES: C1(=C(Oc2c(C1c1ccccc1)cccc2)c1cc(c(cc1)OC)OC)CN(C)C.Cl
• Canonical SMILES: COc1ccc(cc1OC)C1=C(CN(C)C)C(c2c(O1)cccc2)c1ccccc1.Cl
• InChI: InChI=1S/C26H27NO3.ClH/c1-27(2)17-21-25(18-10-6-5-7-11-18)20-12-8-9-13-22(20)30-26(21)19-14-15-23(28-3)24(16-19)29-4;/h5-16,25H,17H2,1-4H3;1H
• InChIKey: AKPZNLXNLRFSQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl}dimethylamine hydrochloride
• IUPAC Traditional name: {[2-(3,4-dimethoxyphenyl)-4-phenyl-4H-chromen-3-yl]methyl}dimethylamine hydrochloride

Database IDs

• PubChem SID: 164241548
• PubChem CID: 44665651

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7269471
• LogD (pH = 7.4): 3.4906406
• Log P: 4.5288324
• Molar Refractivity: 121.5615 cm^3
• Polarizability: 46.92895 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds